Information card for entry 4036500

Structure parameters

• Formula: C24 H17 N3 O3
• Calculated formula: C24 H17 N3 O3
• SMILES: O=C(Nc1c2ncccc2ccc1)/C=C(\c1cc(N(=O)=O)ccc1)c1ccccc1
• Title of publication: Pd(OAc)2-Catalyzed, AgOAc-Promoted Z Selective Directed β-Arylation of Acrylamide Systems and Stereoselective Construction of Z-Cinnamamide Scaffolds.
• Authors of publication: Parella, Ramarao; Babu, Srinivasarao Arulananda
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 24
• Pages of publication: 12379 - 12396
• a: 6.1038 ± 0.0009 Å
• b: 16.2799 ± 0.0019 Å
• c: 19.802 ± 0.003 Å
• α: 86.77 ± 0.011°
• β: 89.29 ± 0.014°
• γ: 80.555 ± 0.017°
• Cell volume: 1937.9 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1731
• Residual factor for significantly intense reflections: 0.1155
• Weighted residual factors for significantly intense reflections: 0.3524
• Weighted residual factors for all reflections included in the refinement: 0.4024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No